1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine

C21H16F4N2O — CID 2741192

IUPAC1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine
SMILESCCC(=NOc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H16F4N2O/c1-2-19(27-28-20-12-11-16(13-26-20)21(23,24)25)15-9-7-14(8-10-15)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3
InChIKeyMFXJLBMJYSWOKN-UHFFFAOYSA-N
MW388.36 g/mol
LogP6.10
Rot. Bonds5

About 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine

1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine (PubChem CID 2741192) has the molecular formula C21H16F4N2O and a molecular weight of 388.36 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine
PubChem CID2741192
Molecular FormulaC21H16F4N2O
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine
SMILESCCC(=NOc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H16F4N2O/c1-2-19(27-28-20-12-11-16(13-26-20)21(23,24)25)15-9-7-14(8-10-15)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3
InChIKeyMFXJLBMJYSWOKN-UHFFFAOYSA-N
XLogP6.10
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
3-Fluoro-4''-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-4-ol
CID 49799473
2,6-Difluoro-4-[4-(4-methylphenyl)-3-pyridinyl]phenol
CID 122186026
2-methoxy-5-[(1S)-3,3,3-trifluoro-1-(4-phenylphenyl)propyl]pyridine
CID 134955917
(1EZ,2E)-N-Benzyloxy-3-(4-fluorophenyl)-1-(pyridin-3-yl)prop-2-en-1-imine
CID 138858218
Diphenyliodonium 2-oxo-5-(trifluoromethyl)-2H-pyridin-1-ide
CID 168306600
(Z)-1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine
CID 5703547
(E)-[1-(4-fluorophenyl)ethylidene][(6-{[(E)-[1-(4-fluorophenyl)ethylidene]amino]oxy}pyridin-2-yl)oxy]amine
CID 5912928
(E)-1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine
CID 9580654
(Z)-N-methoxy-1-phenyl-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76312448
(Z)-N-methoxy-1-(4-phenylphenyl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76319685
(Z)-N-methoxy-1-[4-(trifluoromethyl)phenyl]-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]methanimine
CID 76326871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine (CID 2741192) is 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine is CCC(=NOc1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine?
The InChIKey is MFXJLBMJYSWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O/c1-2-19(27-28-20-12-11-16(13-26-20)21(23,24)25)15-9-7-14(8-10-15)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine?
1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine has a molecular weight of 388.36 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-imine is sourced from PubChem (CID 2741192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).